3-[(2-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl}hydrazinylidene)methyl]phenyl 4-iodo-1-methyl-1H-pyrazole-5-carboxylate
Chemical Structure Depiction of
3-[(2-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl}hydrazinylidene)methyl]phenyl 4-iodo-1-methyl-1H-pyrazole-5-carboxylate
3-[(2-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl}hydrazinylidene)methyl]phenyl 4-iodo-1-methyl-1H-pyrazole-5-carboxylate
Compound characteristics
| Compound ID: | Y500-5867 |
| Compound Name: | 3-[(2-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]acetyl}hydrazinylidene)methyl]phenyl 4-iodo-1-methyl-1H-pyrazole-5-carboxylate |
| Molecular Weight: | 621.47 |
| Molecular Formula: | C23 H20 I N5 O4 S2 |
| Smiles: | CCOc1ccc2c(c1)sc(n2)SCC(N/N=C/c1cccc(c1)OC(c1c(cnn1C)I)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.794 |
| logD: | 4.7939 |
| logSw: | -4.4489 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.439 |
| InChI Key: | SBVIQOBUCYKUCL-UHFFFAOYSA-N |